Spektraris NMR
Javanicosides J
Common Name: Javanicosides J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O16/c1-13-15-9-18-33-12-46-34(31(44)45-3,26(33)24(29(43)48-18)49-28(42)14-7-5-4-6-8-14)27(41)22(40)25(33)32(15,2)10-16(36)23(13)50-30-21(39)20(38)19(37)17(11-35)47-30/h4-8,15,17-22,24-27,30,35,37-41H,9-12H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,24+,25+,26+,27-,30-,32-,33+,34-/m0/s1
InChIKey: InChIKey=CETPXHIOCLMKFO-BPIPPOPGSA-N
Formula: C34H40O16
Molecular Weight: 704.67313
Exact Mass: 704.231635
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kim, I.H., Hitotsuyanagi, Y., Takeya, K. Phytochemistry (2004) 65, 3167-73
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Picrasanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 51 |
| 2 (C) | 193.6 |
| 3 (C) | 146.6 |
| 4 (C) | 147.9 |
| 5 (CH) | 43.3 |
| 6 (CH2) | 29.3 |
| 7 (CH) | 83.7 |
| 8 (C) | 46.2 |
| 9 (CH) | 42.2 |
| 10 (C) | 40.8 |
| 11 (CH) | 73 |
| 12 (CH) | 75.7 |
| 13 (C) | 82.8 |
| 14 (CH) | 50.5 |
| 15 (CH) | 69.2 |
| 16 (C) | 168 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 15.8 |
| 20 (CH2) | 73.7 |
| 21 (C) | 171.2 |
| 1' (CH) | 104.9 |
| 2' (CH) | 76.1 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.8 |
| 15a (C) | 165.3 |
| 15b (C) | 130.3 |
| 15c (CH) | 130.1 |
| 15d (CH) | 128.8 |
| 15e (CH) | 133.6 |
| 15f (CH) | 128.8 |
| 15g (CH) | 130.1 |
| 21a (CH3) | 52.3 |
